Benzoylecgonine-D3 1.0 mg/ml in Methanol
Product Code
LGCAMP1345.81-01
CAS Number
Product Format
Single Solution
Matrix
Methanol
Molecular Formula
C16 2H3 H16 N O4
Molecular Weight
292.34
Product Categories
Reference Materials for Cocaine and Related Substances , Stable Isotope Labelled Reference Materials, LoGiCal
Unlabelled CAS Number
Documentation
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Product Information
Analyte Data
Analyte Name
Benzoylecgonine-D3
CAS Number
115732-68-8
Molecular Formula
C16 2H3 H16 N O4
Molecular Weight
292.34
Accurate Mass
292.1502
Appearance/Form
Liquid
Flash Point
12.0
Color
Colourless
Odor
Alcohol-like
SMILES
[2H]C([2H])([2H])N1[C@H]2CC[C@@H]1[C@H]([C@H](C2)OC(=O)c3ccccc3)C(=O)O
InChI
InChI=1S/C16H19NO4/c1-17-11-7-8-12(17)14(15(18)19)13(9-11)21-16(20)10-5-3-2-4-6-10/h2-6,11-14H,7-9H2,1H3,(H,18,19)/t11-,12+,13-,14+/m0/s1/i1D3
IUPAC
(1S,3S,4R,5R)-3-benzoyloxy-8-(trideuteriomethyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid
Unlabelled CAS Number
519-09-5
SIL Type
Deuterium
Product Data
Storage Temperature
-18°C
Shipping Temperature
Ice pack (-20°C)
Country of Origin
GERMANY
Tariff Code
28459010
Product Type
Metabolite; Stable Isotope Labelled
Product Format
Single Solution
Matrix
Methanol
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